Results 291 to 300 of about 3,260,181 (300)

Combining Statistical and Physical Considerations in Deriving Targeted QSPRs Using Very Large Molecular Descriptor Databases

Computer Aided Chemical Engineering, 2010
Neima Brauner, Mordechai Shacham, Inga Paster   +2 more
exaly  

A. Lists of molecular descriptors

2013
openaire   +1 more source

Applying Molecular Descriptors

2007
openaire   +2 more sources

Molecular Design Using the Signature Molecular Descriptor

Chemical Engineering Education, 2019
John A. Krew, Donald P. Visco, Jr., Phillip D. Bertke   +2 more
openaire   +1 more source

Investigation of a novel molecular descriptor for the lead optimization of 4-aminoquinazolines as vascular endothelial growth factor receptor-2 inhibitors: Application for quantitative structure–activity relationship analysis in lead optimization

Bioorganic and Medicinal Chemistry Letters, 2011
Alan F Lau
exaly  

Notes on quantitative structure‐properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor

Journal of Computational Chemistry, 2009
exaly  

On the Calculation of the Molecular Descriptor '/.

J. Chem. Inf. Comput. Sci., 1998
Dejan Plavsic, Milan Soskic, Nella Lers
openaire   +1 more source

A new simple and efficient molecular descriptor for the fast and accurate prediction of log P

Yecheng Zhou
exaly  

Molecular Descriptor for Catalytic Direct Oxidative Transfer Process Based on Thermodynamic State Changes during Reactions

Environmental Science & Technology
Han-Qing Yu, Jie-Jie Chen, Guixiang Huang   +2 more
exaly  

Molecular Descriptors and Chemometrics

2006
openaire   +1 more source